SCHEMBL15744498

SCHEMBL15744498

CCCc1ccc2cc(-c3ccc(-c4ccc(-c5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)cc4)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.38
RARB P10826 3/20 0.34
RARA P10276 2/20 0.34
RARG P13631 1/20 0.34
KIF11 P52732 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
FFAR4 Q5NUL3 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MCL1 Q07820 1/20 0.32
CYP17A1 P05093 2/20 0.32
THRB P10828 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15744588 0.95 HRH3 (0.35) HRH3RARBRARARARGKIF11
SCHEMBL15744503 0.94 ESR1 (0.34) HRH3RARBRARARARGESR1
SCHEMBL15745105 0.93 HRH3 (0.33) HRH3RARBRARARARGESR1
SCHEMBL15744839 0.93 HRH3 (0.33) HRH3RARBRARARARGESR1
SCHEMBL15744939 0.89 PPARD (0.35) HRH3NPC1TP53PKMRAB9A
SCHEMBL15744846 0.89 PPARD (0.35) HRH3NPC1TP53PKMRAB9A
SCHEMBL15744349 0.89 RARB (0.39) RARBRARARARGKIF11NPC1
SCHEMBL15744374 0.89 RARB (0.39) RARBRARARARGKIF11NPC1
SCHEMBL15744316 0.89 RARB (0.39) RARBRARARARGKIF11NPC1
SCHEMBL15745017 0.89 KIF11 (0.36) HRH3RARBRARARARGKIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed